SCHEMBL5225540

SCHEMBL5225540

COC(=O)C(NC(=O)c1ccc(Cl)cc1)C(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TRPA1 O75762 2/20 0.47
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
UTS2R Q9UKP6 1/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3365792 0.89 HTT (0.57) HTTTRPA1LMNAL3MBTL1P2RX7
SCHEMBL27564141 0.81 HTT (0.56) HTTTRPA1LMNAMAPK1L3MBTL1
SCHEMBL8185351 0.78 HTT (0.65) HTTTRPA1LMNAMAPK1L3MBTL1
SCHEMBL11510985 0.75 TAS1R3 (0.57) HTTTRPA1LMNAMAPK1ALDH1A1
SCHEMBL4652134 0.75 HTT (0.61) HTTTRPA1LMNAL3MBTL1ALDH1A1
SCHEMBL1049530 0.75 MAPT (0.48) LMNAALDH1A1MAPTPOLBTAS1R3
SCHEMBL12377256 0.74 HTT (0.59) HTTTRPA1LMNAL3MBTL1P2RX7
SCHEMBL5222854 0.73 KMT2A (0.52) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10617245 0.73 HTT (0.62) HTTTRPA1LMNAL3MBTL1P2RX7
SCHEMBL5194062 0.73 HTT (0.58) HTTTRPA1LMNAL3MBTL1P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HTT 705/4885TRPA1 4192/4885LMNA 4658/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 HTT 2292/4885TRPA1 4853/4885LMNA 1034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.